Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Benzoxazine-Linked Porous Organic Networks for Effective Iodine Capture(Royal Soc Chemistry, 2025) Canturk, Batu Sercan; Erdogmus, Mustafa; Gecalp, Yasmin; Sahin, Hasan; Buyukcakir, OnurThis study presents, for the first time, the investigation of a benzoxazine-linked porous organic network (BPON) for iodine capture. BPON was synthesized through the Mannich condensation of paraformaldehyde, melamine, and phloroglucinol. The porous structure and heteroatom-rich skeleton of BPON make it a promising adsorbent platform for iodine capture. BPON demonstrated an effective iodine capture capability in the vapour phase (3.32 g g-1) and an impressive uptake capacity in the aqueous phase (2.80 g g-1 capacity, 90.4% removal efficiency in 12 hours). To investigate the effect of curing on iodine capture, BPON was thermally cured to prepare thermally cured benzoxazine-linked porous organic networks (cBPONs) at three different temperatures: 200, 250, and 300 degrees C. cBPONs demonstrated an iodine capture capacity of up to 2.20 g g-1 and 1.67 g g-1 for vapour and aqueous phases, respectively. The iodine capture mechanism of BPON was investigated using various ex situ analyses, including Fourier transform infrared (FT-IR), Raman spectra, and X-ray photoelectron spectra (XPS). Structural analysis and theoretical calculations indicated the formation of a charge-transfer complex upon iodine capture, leading to the generation of polyiodide species. This study demonstrates the potential of BPONs for iodine capture and paves the way for developing new polymeric adsorbents for capturing iodine from air and water.Article Citation - WoS: 1Citation - Scopus: 1Thickness-Dependent Characteristics and Oxidation of 2d-Cadmium(Royal Soc Chemistry, 2024) Gulucu, Arda; Sahin, HasanIn this study, the structural, electronic, and vibrational properties of the thinnest crystal structure that can be obtained by thinning bulk Cd down to a monolayer are investigated by performing first-principles calculations. Total energy optimization and dynamic stability calculations reveal that the single layer crystal structure has a hexagonal unitcell with a two-atomic basis where alternating layers are formed by trigonal arrangements of Cd atoms. Softening occurs with decreasing zone center optical phonon frequencies as a result of structural relaxation when going from a bulk to a single layer (SL) structure. It is also shown that the thinnest structure obtained from bulk Cd crystals maintains its metallic features despite the dimensional crossover. In addition, it is predicted through calculations that the SL Cd crystal strongly interacts with oxygen and that the oxidized regions even undergo chemical transformation to form a CdO crystal. In the double-layer CdO crystal resulting from the oxidation of individual Cd layers, the layers are connected to each other with partially covalent bonds, and this structure is a semiconductor with a band gap of 2.10 eV. On the one hand, the robust metallic structure of the thinnest possible Cd crystal provides flexibility for its use in nanoscale applications, on the other hand, the fact that its electronic properties can be changed by oxidation is important for optoelectronic device applications. In this study, the structural, electronic, and vibrational properties of the thinnest crystal structure that can be obtained by thinning bulk Cd down to a monolayer are investigated by performing first-principles calculations.